ChemSpider 2D Image | 1-[3-(Acetylsulfanyl)-2-methyl-4-oxo-4-phenylbutanoyl]-L-proline | C18H21NO5S

1-[3-(Acetylsulfanyl)-2-methyl-4-oxo-4-phenylbutanoyl]-L-proline

  • Molecular FormulaC18H21NO5S
  • Average mass363.428 Da
  • Monoisotopic mass363.114044 Da
  • ChemSpider ID57464632

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[3-(Acetylsulfanyl)-2-methyl-4-oxo-4-phenylbutanoyl]-L-prolin [German] [ACD/IUPAC Name]
1-[3-(Acetylsulfanyl)-2-methyl-4-oxo-4-phenylbutanoyl]-L-proline [ACD/IUPAC Name]
1-[3-(Acétylsulfanyl)-2-méthyl-4-oxo-4-phénylbutanoyl]-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[3-(acetylthio)-2-methyl-1,4-dioxo-4-phenylbutyl]- [ACD/Index Name]
1-((3-Acetylthio)-3-benzoyl-2-methylpropionyl)-L-proline

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 595.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 313.9±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 93.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.07
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 277.1±3.0 cm3

Click to predict properties on the Chemicalize site


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